[[4-[2-[[4-(2-carboxyethylcarbamoyl)phenyl]methyl-[4-(cyclohexen-1-yl)phenyl]amino]-1,3-thiazol-4-yl]phenyl]-oxidanidyl-amino]oxidanium

Systemtic Name: [[4-[2-[[4-(2-carboxyethylcarbamoyl)phenyl]methyl-[4-(cyclohexen-1-yl)phenyl]amino]-1,3-thiazol-4-yl]phenyl]-oxidanidyl-amino]oxidanium Openeye Name: [4-[2-[N-[[4-(2-carboxyethylcarbamoyl)phenyl]methyl]-4-(cyclohexen-1-yl)anilino]thiazol-4-yl]-N-oxido-anilino]oxonium CAS Name: [4-[2-[N-[[4-[(2-carboxyethylamino)-oxomethyl]phenyl]methyl]-4-(1-cyclohexenyl)anilino]-4-thiazolyl]-N-oxidoanilino]oxonium IUPAC Name: [4-[2-[N-[[4-(2-carboxyethylcarbamoyl)phenyl]methyl]-4-(cyclohexen-1-yl)anilino]-1,3-thiazol-4-yl]-N-oxidoanilino]oxidanium Traditional Name: [4-[2-[N-[4-(2-carboxyethylcarbamoyl)benzyl]-4-(cyclohexen-1-yl)anilino]thiazol-4-yl]-N-oxido-anilino]oxonium Formula: C32H32N4O5S MolecularWeight: 584.68528

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)C2=CC=C(C=C2)N(CC3=CC=C(C=C3)C(=O)NCCC(=O)O)C4=NC(=CS4)C5=CC=C(C=C5)N([OH2+])[O-]

Isomeric SMILES

C1CCC(=CC1)C2=CC=C(C=C2)N(CC3=CC=C(C=C3)C(=O)NCCC(=O)O)C4=NC(=CS4)C5=CC=C(C=C5)N([OH2+])[O-]

InChI

InChI=1S/C32H31N4O5S/c37-30(38)18-19-33-31(39)26-8-6-22(7-9-26)20-35(27-14-10-24(11-15-27)23-4-2-1-3-5-23)32-34-29(21-42-32)25-12-16-28(17-13-25)36(40)41/h4,6-17,21,40H,1-3,5,18-20H2,(H,33,39)(H,37,38)/q-1/p+1